The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning
Eriksson, Fredrik, Fransson, Erik, Erhart, Paul
Published in Advanced theory and simulations (01.05.2019)
Published in Advanced theory and simulations (01.05.2019)
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Journal Article
Luminescence Quenching via Deep Defect States: A Recombination Pathway via Oxygen Vacancies in Ce-Doped YAG
Linderälv, Christopher, Åberg, Daniel, Erhart, Paul
Published in Chemistry of materials (12.01.2021)
Published in Chemistry of materials (12.01.2021)
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Journal Article
A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides
Linderälv, Christopher, Lindman, Anders, Erhart, Paul
Published in The journal of physical chemistry letters (04.01.2018)
Published in The journal of physical chemistry letters (04.01.2018)
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Journal Article
Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times
Mansø, Mads, Petersen, Anne Ugleholdt, Wang, Zhihang, Erhart, Paul, Nielsen, Mogens Brøndsted, Moth-Poulsen, Kasper
Published in Nature communications (16.05.2018)
Published in Nature communications (16.05.2018)
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Journal Article
Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling
Rossi, Tuomas P., Shegai, Timur, Erhart, Paul, Antosiewicz, Tomasz J.
Published in Nature communications (26.07.2019)
Published in Nature communications (26.07.2019)
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Journal Article
Loss channels in triplet-triplet annihilation photon upconversion: importance of annihilator singlet and triplet surface shapes
Gray, Victor, Dreos, Ambra, Erhart, Paul, Albinsson, Bo, Moth-Poulsen, Kasper, Abrahamsson, Maria
Published in Physical chemistry chemical physics : PCCP (2017)
Published in Physical chemistry chemical physics : PCCP (2017)
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Journal Article
Efficient implementation of the concentration-dependent embedded atom method for molecular-dynamics and Monte-Carlo simulations
Stukowski, Alexander, Sadigh, Babak, Erhart, Paul, Caro, Alfredo
Published in Modelling and simulation in materials science and engineering (01.10.2009)
Published in Modelling and simulation in materials science and engineering (01.10.2009)
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Journal Article
Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces
Kumar, Priyank V, Rossi, Tuomas P, Marti-Dafcik, Daniel, Reichmuth, Daniel, Kuisma, Mikael, Erhart, Paul, Puska, Martti J, Norris, David J
Published in ACS nano (26.03.2019)
Published in ACS nano (26.03.2019)
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Journal Article
Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations
Rossi, Tuomas P, Kuisma, Mikael, Puska, Martti J, Nieminen, Risto M, Erhart, Paul
Published in Journal of chemical theory and computation (10.10.2017)
Published in Journal of chemical theory and computation (10.10.2017)
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Journal Article
Efficient construction of linear models in materials modeling and applications to force constant expansions
Fransson, Erik, Eriksson, Fredrik, Erhart, Paul
Published in npj computational materials (07.09.2020)
Published in npj computational materials (07.09.2020)
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Journal Article
Investigating the missing‐wedge problem in small‐angle X‐ray scattering tensor tomography across real and reciprocal space
Nielsen, Leonard C., Tänzer, Torne, Rodriguez-Fernandez, Irene, Erhart, Paul, Liebi, Marianne
Published in Journal of synchrotron radiation (01.09.2024)
Published in Journal of synchrotron radiation (01.09.2024)
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Journal Article
Inverted valley polarization in optically excited transition metal dichalcogenides
Berghäuser, Gunnar, Bernal-Villamil, Ivan, Schmidt, Robert, Schneider, Robert, Niehues, Iris, Erhart, Paul, Michaelis de Vasconcellos, Steffen, Bratschitsch, Rudolf, Knorr, Andreas, Malic, Ermin
Published in Nature communications (06.03.2018)
Published in Nature communications (06.03.2018)
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Journal Article
Direct hot-carrier transfer in plasmonic catalysis
Kumar, Priyank V, Rossi, Tuomas P, Kuisma, Mikael, Erhart, Paul, Norris, David J
Published in Faraday discussions (01.05.2019)
Published in Faraday discussions (01.05.2019)
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Journal Article
Electrostatic Boundary Conditions and (Electro)chemical Interface Stability
Huang, Binxiang, Erhart, Paul, Yang, Tongqing, Klein, Andreas
Published in Advanced materials interfaces (01.07.2023)
Published in Advanced materials interfaces (01.07.2023)
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Journal Article
ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
Ångqvist, Mattias, Muñoz, William A., Rahm, J. Magnus, Fransson, Erik, Durniak, Céline, Rozyczko, Piotr, Rod, Thomas H., Erhart, Paul
Published in Advanced theory and simulations (01.07.2019)
Published in Advanced theory and simulations (01.07.2019)
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Journal Article
Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold
Löfgren, Joakim, Grönbeck, Henrik, Moth-Poulsen, Kasper, Erhart, Paul
Published in Journal of physical chemistry. C (09.06.2016)
Published in Journal of physical chemistry. C (09.06.2016)
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Journal Article